1-[2-(dimethylaminomethyl)piperidin-1-yl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-[2-(dimethylaminomethyl)piperidin-1-yl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-[2-(dimethylaminomethyl)-1-piperidyl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-[2-(dimethylaminomethyl)-1-piperidinyl]-2-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[2-(dimethylaminomethyl)piperidin-1-yl]-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 1-[2-(dimethylaminomethyl)piperidino]-2-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1CCCCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3S/c1-12(13-7-8-16(24)15(10-13)20(22)23)17(21)19-9-5-4-6-14(19)11-18(2)3/h7-8,10,14,24H,1,4-6,9,11H2,2-3H3